Match Born charge O ZZ w=-0.2
Commits >
Commit fc620b07b8352e29314cbb5cb8516e7316f53ec5 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-1.772797000000000e+00 | -1.772797000000000e+00 | 8.860000000000000e-06 | PASS |
Command: LINEFIELD(em_resp/freq_-0.2000/born_charges, 7, 3)